2-(1-decyl-3,5-dimethylpyrazol-4-yl)acetic acid

C17H30N2O2 — CID 62222579

IUPAC2-(1-decyl-3,5-dimethylpyrazol-4-yl)acetic acid
SMILESCCCCCCCCCCn1nc(C)c(CC(=O)O)c1C
InChIInChI=1S/C17H30N2O2/c1-4-5-6-7-8-9-10-11-12-19-15(3)16(13-17(20)21)14(2)18-19/h4-13H2,1-3H3,(H,20,21)
InChIKeyMEJJVQHSQPCCPG-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.27
Rot. Bonds11

About 2-(1-decyl-3,5-dimethylpyrazol-4-yl)acetic acid

2-(1-decyl-3,5-dimethylpyrazol-4-yl)acetic acid (PubChem CID 62222579) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-(1-decyl-3,5-dimethylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1-decyl-3,5-dimethylpyrazol-4-yl)acetic acid
PubChem CID62222579
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name2-(1-decyl-3,5-dimethylpyrazol-4-yl)acetic acid
SMILESCCCCCCCCCCn1nc(C)c(CC(=O)O)c1C
InChIInChI=1S/C17H30N2O2/c1-4-5-6-7-8-9-10-11-12-19-15(3)16(13-17(20)21)14(2)18-19/h4-13H2,1-3H3,(H,20,21)
InChIKeyMEJJVQHSQPCCPG-UHFFFAOYSA-N
XLogP4.27
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 54956296
2-[1-(2-ethylsulfonylethyl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 61294812
2-[3,5-dimethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]acetic acid
CID 106726393
2-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 61294445
1-(1-hexyl-3,5-dimethylpyrazol-4-yl)ethanone
CID 62726492
2-(1-hexyl-3,5-dimethylpyrazol-4-yl)ethanamine
CID 62729687
2-[1-[2-(diethylamino)-2-oxoethyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 61294442
2-[1-(2-imidazol-1-ylethyl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 61294277
5-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentan-1-ol
CID 62229176
ethyl 2-(3,5-dimethyl-1-propylpyrazol-4-yl)acetate
CID 61381131
4-bromo-1-decyl-3,5-dimethylpyrazole
CID 63428341
1-(1,3,5-trimethylpyrazol-4-yl)undecan-2-one
CID 105086358

Frequently Asked Questions

What is the IUPAC name of 2-(1-decyl-3,5-dimethylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-(1-decyl-3,5-dimethylpyrazol-4-yl)acetic acid (CID 62222579) is 2-(1-decyl-3,5-dimethylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(1-decyl-3,5-dimethylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(1-decyl-3,5-dimethylpyrazol-4-yl)acetic acid is CCCCCCCCCCn1nc(C)c(CC(=O)O)c1C.
What is the InChIKey of 2-(1-decyl-3,5-dimethylpyrazol-4-yl)acetic acid?
The InChIKey is MEJJVQHSQPCCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-4-5-6-7-8-9-10-11-12-19-15(3)16(13-17(20)21)14(2)18-19/h4-13H2,1-3H3,(H,20,21).
What are the key properties of 2-(1-decyl-3,5-dimethylpyrazol-4-yl)acetic acid?
2-(1-decyl-3,5-dimethylpyrazol-4-yl)acetic acid has a molecular weight of 294.44 g/mol, XLogP of 4.27, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-decyl-3,5-dimethylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 62222579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).